D470-0192 Screening compound: 2-methoxy-N~1~-phenethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0192 Screening compound: 2-methoxy-N~1~-phenethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0192 Screening compound: 2-methoxy-N~1~-phenethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0192
2-methoxy-N~1~-phenethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D470-0192

Molecular Formula

C18H20N2O6S2 (C18 H20 N2 O6 S2)

Compound Name

2-methoxy-N~1~-phenethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

2-methoxy-N-(2-phenylethyl)-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

COc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(NCCc1ccccc1)(=O)=O

InChI

InChI=1S/C18H20N2O6S2/c1-26-16-8-7-15(20-18(21)10-12-27(20,22)23)13-17(16)28(24,25)19-11-9-14-5-3-2-4-6-14/h2-8,13,19H,9-12H2,1H3

InChI Key

NHCPULWEOXPLKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.243

Distribution Coefficient, logD

1.243

Water Solubility, LogSw

-2.43

Polar Surface Area

94.886

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with D470-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0192?
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What is the minimum amount of D470-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0192
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D470-0192 available by request